2,2,2-tris(fluoranyl)ethyl 4-methylidene-6-(4-nitrophenyl)-2-oxidanylidene-1,3-diazinane-5-carboxylate

Systemtic Name: 2,2,2-tris(fluoranyl)ethyl 4-methylidene-6-(4-nitrophenyl)-2-oxidanylidene-1,3-diazinane-5-carboxylate Openeye Name: 2,2,2-trifluoroethyl 4-methylene-6-(4-nitrophenyl)-2-oxo-hexahydropyrimidine-5-carboxylate CAS Name: 4-methylene-6-(4-nitrophenyl)-2-oxo-1,3-diazinane-5-carboxylic acid 2,2,2-trifluoroethyl ester IUPAC Name: 2,2,2-trifluoroethyl 4-methylidene-6-(4-nitrophenyl)-2-oxo-1,3-diazinane-5-carboxylate Traditional Name: 2-keto-4-methylene-6-(4-nitrophenyl)hexahydropyrimidine-5-carboxylic acid 2,2,2-trifluoroethyl ester Formula: C14H12F3N3O5 MolecularWeight: 359.25739

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Descriptors Computed from Structure

Canonical SMILES:

C=C1C(C(NC(=O)N1)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)OCC(F)(F)F

Isomeric SMILES

C=C1C(C(NC(=O)N1)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)OCC(F)(F)F

InChI

InChI=1S/C14H12F3N3O5/c1-7-10(12(21)25-6-14(15,16)17)11(19-13(22)18-7)8-2-4-9(5-3-8)20(23)24/h2-5,10-11H,1,6H2,(H2,18,19,22)